N4-cyclohexyl-N4-ethyl-N1-(2-pyridin-4-ylethyl)benzene-1,4-disulfonamide

Systemtic Name: N4-cyclohexyl-N4-ethyl-N1-(2-pyridin-4-ylethyl)benzene-1,4-disulfonamide Openeye Name: N4-cyclohexyl-N4-ethyl-N1-[2-(4-pyridyl)ethyl]benzene-1,4-disulfonamide CAS Name: N4-cyclohexyl-N4-ethyl-N1-(2-pyridin-4-ylethyl)benzene-1,4-disulfonamide IUPAC Name: 4-N-cyclohexyl-4-N-ethyl-1-N-(2-pyridin-4-ylethyl)benzene-1,4-disulfonamide Traditional Name: N'-cyclohexyl-N'-ethyl-N-[2-(4-pyridyl)ethyl]benzene-1,4-disulfonamide Formula: C21H29N3O4S2 MolecularWeight: 451.60266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCCCC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)NCCC3=CC=NC=C3

Isomeric SMILES

CCN(C1CCCCC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)NCCC3=CC=NC=C3

InChI

InChI=1S/C21H29N3O4S2/c1-2-24(19-6-4-3-5-7-19)30(27,28)21-10-8-20(9-11-21)29(25,26)23-17-14-18-12-15-22-16-13-18/h8-13,15-16,19,23H,2-7,14,17H2,1H3